[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate

C14H24O4Si — CID 15535324

IUPAC[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
SMILESC=C(COC(C)=O)/C(=C/C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C14H24O4Si/c1-11(9-17-12(2)15)14(10-18-13(3)16)7-8-19(4,5)6/h7H,1,8-10H2,2-6H3/b14-7+
InChIKeyGPOHUJCTBATDEG-VGOFMYFVSA-N
MW284.43 g/mol
LogP2.93
Rot. Bonds7

About [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate

[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate (PubChem CID 15535324) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
PubChem CID15535324
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
SMILESC=C(COC(C)=O)/C(=C/C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C14H24O4Si/c1-11(9-17-12(2)15)14(10-18-13(3)16)7-8-19(4,5)6/h7H,1,8-10H2,2-6H3/b14-7+
InChIKeyGPOHUJCTBATDEG-VGOFMYFVSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 11369632
[(E)-3-(acetyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl] acetate
CID 101724431
[(Z)-3-(acetyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl] acetate
CID 101724432
[(1E,4Z,7E)-8-(acetyloxymethyl)-5-methylcycloocta-1,4,7-trien-1-yl]methyl acetate
CID 102409090
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate
CID 134856558
ethyl (3E)-4,5-bis(acetyloxymethyl)hexa-3,5-dienoate
CID 134980067
ethyl (3Z)-4,5-bis(acetyloxymethyl)hexa-3,5-dienoate
CID 134980169
[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
CID 134980171
[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 134980553
[(2Z)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
CID 134993617
(4-Methyl-2-trimethylsilylcyclohexa-1,4-dien-1-yl)methyl acetate
CID 134999429
diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate
CID 135016900

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The IUPAC name of [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate (CID 15535324) is [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate.
What is the SMILES notation for [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The canonical SMILES for [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate is C=C(COC(C)=O)/C(=C/C[Si](C)(C)C)COC(C)=O.
What is the InChIKey of [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The InChIKey is GPOHUJCTBATDEG-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-11(9-17-12(2)15)14(10-18-13(3)16)7-8-19(4,5)6/h7H,1,8-10H2,2-6H3/b14-7+.
What are the key properties of [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate has a molecular weight of 284.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate is sourced from PubChem (CID 15535324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).